Compound Detail
CHEMBL480169
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Basic Information
| ChEMBL ID | CHEMBL480169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMSXKPZTNBOCFF-MJGOQNOKSA-N |
3
Targets
14
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
2.22
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 5.52
IC50 6 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 3 CHEMBL2721 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Ki | 4.44 | 4.435 | 36307.8 | 2 |
| Excitatory amino acid transporter 2 CHEMBL4973 | IC50 | 4.12 | 4.11 | 75000.0 | 2 |
| Excitatory amino acid transporter 2 CHEMBL4973 | Ki | 4.02 | 4.01 | 95000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 3 | Ki | = | 3000.0 | nM | 5.52 | Inhibition of [3H]D-Asp uptake at human EAAT3 in HEK293 cells | 18578477 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 36307.81 | nM | 4.44 | Displacement of [3H]SYM2081 from rat cloned iGluR5 | 18578477 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 37200.0 | nM | 4.43 | Displacement of [3H]SYM2081 from rat cloned iGluR5 | 18578477 |
| Excitatory amino acid transporter 2 | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of glutamate-induced depolarization in human EAAT2 expressed in HEK29... | 18578477 |
| Excitatory amino acid transporter 2 | IC50 | = | 79432.82 | nM | 4.1 | Inhibition of glutamate-induced depolarization in human EAAT2 expressed in HEK29... | 18578477 |
| Excitatory amino acid transporter 2 | Ki | = | 95000.0 | nM | 4.02 | Inhibition of [3H]D-Asp uptake at human EAAT2 in HEK293 cells | 18578477 |
| Excitatory amino acid transporter 2 | Ki | = | 100000.0 | nM | 4.0 | Inhibition of [3H]D-Asp uptake at human EAAT2 in HEK293 cells | 18578477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18578477 | 10.1021/jm800091e | Excitatory amino acid transporter 1 | 4 |
| 18578477 | 10.1021/jm800091e | Excitatory amino acid transporter 2 | 4 |
| 18578477 | 10.1021/jm800091e | Excitatory amino acid transporter 3 | 4 |
| 18578477 | 10.1021/jm800091e | Metabotropic glutamate receptor 2 | 2 |
| 18578477 | 10.1021/jm800091e | Unchecked | 2 |
| 18578477 | 10.1021/jm800091e | Glutamate receptor ionotropic, kainate 1 | 2 |
| 18578477 | 10.1021/jm800091e | Metabotropic glutamate receptor 1 | 1 |
| 18578477 | 10.1021/jm800091e | Metabotropic glutamate receptor 5 | 1 |
| 18578477 | 10.1021/jm800091e | Metabotropic glutamate receptor 4 | 1 |
| 18578477 | 10.1021/jm800091e | Metabotropic glutamate receptor 3 | 1 |
| 18578477 | 10.1021/jm800091e | Glutamate NMDA receptor | 1 |
| 18578477 | 10.1021/jm800091e | Glutamate receptor ionotropic, kainate 2 | 1 |
| 18578477 | 10.1021/jm800091e | Glutamate receptor ionotropic, kainate 3 | 1 |
Data from ChEMBL 36 via Core Engine